Re: [ccp4bb] R-free error in highest resolution bin

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Subject: Re: R-free error in highest resolution bin
From: merritt {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2007-02-28

On Wednesday 28 February 2007 11:39, you wrote:
> Not sure what R-free error is either, I am trying to deposit a pdb and there
> is a blank to fill in "R-free error" located in the highest res refinement section.
> It filled in all the other values automatically from my mmfic except that one.

Huh. I don't know.
The only thing I can think of is the Cruickshank "Diffraction Precision Index" (DPI),
which is an empirical error estimate based on R, Rfree, resolution, etc.
See:
Cruickshank (1999) Acta Cryst. D55, 583-601

This is given in the refmac output as:

REMARK 3 ESU BASED ON FREE R VALUE (A): 0.059

However, this is not a per-shell value.

> On Wednesday 28 February 2007 11:08, John Bruning wrote:
> > When using Refmac how does one find/calculate R-free error in the highest resolution bin?
>
> R and Rfree by shell are in the data-harvesting output file
>
> What is "R-free error"?
>

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Dept of Biochemistry
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CCP4bb <-- 2007 <-- February 2007 <-- 28 February 2007

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